C42H52N5O9P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O- methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosphoramide] ( ACI)

alaabta

C42H52N5O9P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O- methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosphoramide] ( ACI)

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Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

199593-09-4

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 801.87 -
pKa (La saadaaliyay) 10.18±0.20 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta Canonical

N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 = CC=C(OC)C=C5)N(C(C)C)C(C)C

Dhoola-caddeyn

C (OC[C@@H]1[C@@H] (OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC) H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4 )C5=CC=CC=C5

InChi

InChi= 1S/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8) 46-25-23-37(44-30(5)48)45-41(46)49)27-53 -42(31-13-10-9-11-14-31,32-15-19- 34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H, 12,26-27H2,1-8H3,( H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1

Furaha InChi

WNWUMIPFLOKTEZ-UAQIPLLRSA-N

1 Magaca kale ee walaxdan

Cytidine,N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) fosphoramide] (9CI)

Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 4.77 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 50.1 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2190 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 21700 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 35700 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 37800 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 37900 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 37300 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 31400 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 12300 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Isha Xaaladda Qiimaha Hantida
Koc 8.29 pH 1; Heerkulka: 25 °C (1) ACD
Koc 87.1 pH 2; Heerkulka: 25 °C (1) ACD
Koc 3800 pH 3; Heerkulka: 25 °C (1) ACD
Koc 37700 pH 4; Heerkulka: 25 °C (1) ACD
Koc 62000 pH 5; Heerkulka: 25 °C (1) ACD
Koc 65700 pH 6; Heerkulka: 25 °C (1) ACD
Koc 65900 pH 7; Heerkulka: 25 °C (1) ACD
Koc 64700 pH 8; Heerkulka: 25 °C (1) ACD
Koc 54500 pH 9; Heerkulka: 25 °C (1) ACD
Koc 21400 pH 10; Heerkulka: 25 °C (1) ACD
logD 2.43 pH 1; Heerkulka: 25 °C (1) ACD
logD 3.45 pH 2; Heerkulka: 25 °C (1) ACD
logD 5.09 pH 3; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
logD 6.09 pH 4; Heerkulka: 25 °C (1) ACD
logD 6.30 pH 5; Heerkulka: 25 °C (1) ACD
logD 6.33 pH 6; Heerkulka: 25 °C (1) ACD
logD 6.33 pH 7; Heerkulka: 25 °C (1) ACD
logD 6.32 pH 8; Heerkulka: 25 °C (1) ACD
logD 6.25 pH 9; Heerkulka: 25 °C (1) ACD
logD 5.84 pH 10; Heerkulka: 25 °C (1) ACD
logP 6.329± 0.771 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 1.8 x 10-4 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.4 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.14 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.1 x 10-3 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.2 x 10-4 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.9 x 10-4 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.8 x 10-4 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.8 x 10-4 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.8 x 10-4 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.2 x 10-4 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.6 x 10-4 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.8 x 10-4 g/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 2.3 x 10-7 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 1.8 x 10-3 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.7 x 10-4 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.9 x 10-6 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 4.0 x 10-7 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.4 x 10-7 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.3 x 10-7 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.3 x 10-7 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.3 x 10-7 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.8 x 10-7 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 7.0 x 10-7 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.3 x 10-7 mol/L Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Miisaanka Molecular 801.87    
pKa 10.18±0.20 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 3.57±0.20 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 18   (1) ACD
H Aqbalayaasha 14   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 15   (1) ACD
logP 6.329± 0.771 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 801.87    

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 167 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1H NMR
13C NMR


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